5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine

C15H16Br2N2O — CID 63484948

IUPAC5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(COc2c(Br)cccc2Br)cn1
InChIInChI=1S/C15H16Br2N2O/c1-2-8-18-14-7-6-11(9-19-14)10-20-15-12(16)4-3-5-13(15)17/h3-7,9H,2,8,10H2,1H3,(H,18,19)
InChIKeyOVWQVDGYLYEQFQ-UHFFFAOYSA-N
MW400.11 g/mol
LogP5.01
Rot. Bonds6

About 5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine

5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine (PubChem CID 63484948) has the molecular formula C15H16Br2N2O and a molecular weight of 400.11 g/mol. Its IUPAC name is 5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine.

Molecular Properties

Compound Name5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine
PubChem CID63484948
Molecular FormulaC15H16Br2N2O
Molecular Weight400.11 g/mol
Exact Mass397.96
IUPAC Name5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine
SMILESCCCNc1ccc(COc2c(Br)cccc2Br)cn1
InChIInChI=1S/C15H16Br2N2O/c1-2-8-18-14-7-6-11(9-19-14)10-20-15-12(16)4-3-5-13(15)17/h3-7,9H,2,8,10H2,1H3,(H,18,19)
InChIKeyOVWQVDGYLYEQFQ-UHFFFAOYSA-N
XLogP5.01
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.11
LogP ≤ 55.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(4-ethylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62194753
5-[(4-methylphenoxy)methyl]-N-propylpyridin-2-amine
CID 62193904
5-[(2-bromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 62194637
5-(3-methoxypropoxymethyl)-N-propylpyridin-2-amine
CID 62193134
N-propyl-5-(thiophen-2-ylmethoxymethyl)pyridin-2-amine
CID 55044939
5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine
CID 62195013
5-[(2,6-dimethylphenoxy)methyl]-N-methylpyridin-2-amine
CID 62195101
N-(2,6-dibromophenyl)-6-(propylamino)pyridine-3-carboxamide
CID 107603238
5-[(dipropylamino)methyl]-N-propylpyridin-2-amine
CID 62183383
5-(2-ethylhexoxymethyl)-N-propylpyridin-2-amine
CID 63486716
N-propyl-5-(pyrimidin-2-ylsulfanylmethyl)pyridin-2-amine
CID 62189823
5-[(2,4-dibromophenoxy)methyl]-N-ethylpyridin-2-amine
CID 64719771

Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine?
The IUPAC name of 5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine (CID 63484948) is 5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine.
What is the SMILES notation for 5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine?
The canonical SMILES for 5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine is CCCNc1ccc(COc2c(Br)cccc2Br)cn1.
What is the InChIKey of 5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine?
The InChIKey is OVWQVDGYLYEQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Br2N2O/c1-2-8-18-14-7-6-11(9-19-14)10-20-15-12(16)4-3-5-13(15)17/h3-7,9H,2,8,10H2,1H3,(H,18,19).
What are the key properties of 5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine?
5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine has a molecular weight of 400.11 g/mol, XLogP of 5.01, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-dibromophenoxy)methyl]-N-propylpyridin-2-amine is sourced from PubChem (CID 63484948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).